2-chloranyl-N-[2-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(3R)-3-phenylbutyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O/c1-19(20-7-3-2-4-8-20)12-16-29-17-13-21(14-18-29)30-24(11-15-27-30)28-25(31)22-9-5-6-10-23(22)26/h2-11,15,19,21H,12-14,16-18H2,1H3,(H,28,31)/p+1/t19-/m1/s1